4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline

C16H17FN2O — CID 110506234

IUPAC4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCC(C)Oc1ccc(/C=N/Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-12(2)20-16-9-3-13(4-10-16)11-18-19-15-7-5-14(17)6-8-15/h3-12,19H,1-2H3/b18-11+
InChIKeyUOZBFPBDXVSURS-WOJGMQOQSA-N
MW272.32 g/mol
LogP4.06
Rot. Bonds5

About 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline

4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline (PubChem CID 110506234) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
PubChem CID110506234
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
SMILESCC(C)Oc1ccc(/C=N/Nc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O/c1-12(2)20-16-9-3-13(4-10-16)11-18-19-15-7-5-14(17)6-8-15/h3-12,19H,1-2H3/b18-11+
InChIKeyUOZBFPBDXVSURS-WOJGMQOQSA-N
XLogP4.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-N,N-dimethylaniline
CID 7955579
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
[4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110509030
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9076234
N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 7230041
6-methyl-3-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135810812
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840847
4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
CID 110506310
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline (CID 110506234) is 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline is CC(C)Oc1ccc(/C=N/Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline?
The InChIKey is UOZBFPBDXVSURS-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12(2)20-16-9-3-13(4-10-16)11-18-19-15-7-5-14(17)6-8-15/h3-12,19H,1-2H3/b18-11+.
What are the key properties of 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline?
4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline has a molecular weight of 272.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 110506234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).